SCHEMBL6844731

SCHEMBL6844731

O=C(O)c1ccc(Cc2c(O)cc3ccc(C(=O)NCc4ccc(S(=O)(=O)O)cc4)cc3c2O)cc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 5/20 0.48
EPHX2 P34913 3/20 0.44
CA2 P00918 6/20 0.44
CA1 P00915 5/20 0.44
NAMPT P43490 1/20 0.42
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
SELE P16581 1/20 0.41
RORC P51449 3/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6844739 0.92 CA2 (0.55) NR1H4EPHX2CA2CA1
SCHEMBL6845405 0.91 RORC (0.49) NR1H4EPHX2CA2CA1NAMPT
SCHEMBL6211045 0.90 ALDH1A1 (0.50) NR1H4NAMPT
SCHEMBL6842635 0.89 NR1H4 (0.59) NR1H4EPHX2SELLSELPSELE
SCHEMBL6209714 0.89 ALDH1A1 (0.53) NR1H4EPHX2CA2CA1RORC
SCHEMBL6845318 0.87 NR1H4 (0.51) NR1H4EPHX2SELLSELPSELE
SCHEMBL6843325 0.87 NR1H4 (0.51) NR1H4EPHX2SELLSELPSELE
SCHEMBL6843206 0.87 NR1H4 (0.51) NR1H4EPHX2CA2CA1SELL
SCHEMBL6843413 0.87 NR1H4 (0.52) NR1H4EPHX2SELLSELPSELE
SCHEMBL6843478 0.87 EPHX2 (0.52) NR1H4EPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-03-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040043983-A1 Naphthalene derivatives as matrix metalloproteinase inhibitors MMP9, MMP8, MMP13 NR1H4 1615/4885EPHX2 2569/4885CA2 982/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.